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Docking-Designed Green Synthesis and In-vitro Anticancer Studies of New Binuclear Se-N-Heterocyclic Carbene Adducts and their Azolium Salts

Muhammad Atif, Mansoureh Nazari V, Mohamed B Khadeer Ahamed, Aman Shah Abdul Majid, Maryam Aslam, Muhammad Adnan Iqbal

Two binuclear selenium adducts (5 and 6) were designed using molecular docking approach while finding their promising interaction to four angiogenic factor-proteins including COX-1 (Cyclooxygenase-1), VEGF-A (Vascular Endothelial Growth Factor A), HIF (Hypoxia-Inducible Factor) and EGF (Human Epidermal Growth Factor). They were consequently synthesized using in-situ coordination approach. The green synthetic approach was employed for coordination as it was carried out in water instead of organic solvents. The synthesized adducts as well as their respective bis-benzimidazolium salts (2 and 4) were confirmed by ¹H and ¹³C-NMR along with FT-IR spectroscopy. The both were, then, subjected to in-vitro anticancer activities against breast adenocarcinoma cell line (MCF-7), cervical cancer cell line (Hela), mouse melanoma cell line (B16F10) and Retinal Ganglion Cell line (RGC-5) using MTT assay while comparing their activities with a commercially established standard-drug 5-Fluorouracil. However, the exceptional activities of both adducts and bis-benzimidazolium salts were explored.